1-(2-fluorophenyl)sulfonyl-4-(2-phenylethyl)piperazine

C18H21FN2O2S — CID 6736975

IUPAC1-(2-fluorophenyl)sulfonyl-4-(2-phenylethyl)piperazine
SMILESO=S(=O)(c1ccccc1F)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C18H21FN2O2S/c19-17-8-4-5-9-18(17)24(22,23)21-14-12-20(13-15-21)11-10-16-6-2-1-3-7-16/h1-9H,10-15H2
InChIKeyRSPWWWPVHMZZPT-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.37
Rot. Bonds5

About 1-(2-fluorophenyl)sulfonyl-4-(2-phenylethyl)piperazine

1-(2-fluorophenyl)sulfonyl-4-(2-phenylethyl)piperazine (PubChem CID 6736975) has the molecular formula C18H21FN2O2S and a molecular weight of 348.44 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfonyl-4-(2-phenylethyl)piperazine.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfonyl-4-(2-phenylethyl)piperazine
PubChem CID6736975
Molecular FormulaC18H21FN2O2S
Molecular Weight348.44 g/mol
Exact Mass348.13
IUPAC Name1-(2-fluorophenyl)sulfonyl-4-(2-phenylethyl)piperazine
SMILESO=S(=O)(c1ccccc1F)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C18H21FN2O2S/c19-17-8-4-5-9-18(17)24(22,23)21-14-12-20(13-15-21)11-10-16-6-2-1-3-7-16/h1-9H,10-15H2
InChIKeyRSPWWWPVHMZZPT-UHFFFAOYSA-N
XLogP2.37
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfonyl-4-(2-phenylethyl)piperazine?
The IUPAC name of 1-(2-fluorophenyl)sulfonyl-4-(2-phenylethyl)piperazine (CID 6736975) is 1-(2-fluorophenyl)sulfonyl-4-(2-phenylethyl)piperazine.
What is the SMILES notation for 1-(2-fluorophenyl)sulfonyl-4-(2-phenylethyl)piperazine?
The canonical SMILES for 1-(2-fluorophenyl)sulfonyl-4-(2-phenylethyl)piperazine is O=S(=O)(c1ccccc1F)N1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 1-(2-fluorophenyl)sulfonyl-4-(2-phenylethyl)piperazine?
The InChIKey is RSPWWWPVHMZZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2S/c19-17-8-4-5-9-18(17)24(22,23)21-14-12-20(13-15-21)11-10-16-6-2-1-3-7-16/h1-9H,10-15H2.
What are the key properties of 1-(2-fluorophenyl)sulfonyl-4-(2-phenylethyl)piperazine?
1-(2-fluorophenyl)sulfonyl-4-(2-phenylethyl)piperazine has a molecular weight of 348.44 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfonyl-4-(2-phenylethyl)piperazine is sourced from PubChem (CID 6736975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).